USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 726 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 733 LYS NZ :NH3+ -108:sc= -1.18 (180deg=-3.78!) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 735 MET CE :methyl -143:sc= -4.37! (180deg=-8.4!) USER MOD Single : A 736 MET CE :methyl -161:sc= -0.454 (180deg=-1.66) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= -1.4 K(o=-1.4,f=-5.8!) USER MOD Single : A 746 THR OG1 : rot 180:sc= 0 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ -110:sc= -1.44 (180deg=-3.4!) USER MOD Single : A 754 HIS :FLIP no HE2:sc= -3.25! C(o=-4.5!,f=-3.3!) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 SER OG : rot 180:sc= 0 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 LYS NZ :NH3+ -161:sc= -0.0362 (180deg=-0.302) USER MOD Single : A 766 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 767 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 ASN : amide:sc= -3.65! C(o=-3.6!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.774 -9.195 -3.006 1.00 0.00 N ATOM 225 CA ILE A 725 9.411 -7.855 -2.561 1.00 0.00 C ATOM 226 C ILE A 725 8.458 -7.187 -3.547 1.00 0.00 C ATOM 227 O ILE A 725 7.491 -6.539 -3.149 1.00 0.00 O ATOM 228 CB ILE A 725 10.655 -6.964 -2.384 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.608 -7.580 -1.357 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.247 -5.561 -1.962 1.00 0.00 C ATOM 231 CD1 ILE A 725 12.984 -6.952 -1.357 1.00 0.00 C ATOM 0 HA ILE A 725 8.914 -7.967 -1.597 1.00 0.00 H new ATOM 0 HB ILE A 725 11.175 -6.897 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.172 -7.480 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.704 -8.647 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.137 -4.944 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.604 -5.124 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.707 -5.608 -1.016 1.00 0.00 H new ATOM 0 HD11 ILE A 725 13.606 -7.438 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.440 -7.075 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 725 12.899 -5.890 -1.127 1.00 0.00 H new ATOM 243 N MET A 726 8.738 -7.353 -4.836 1.00 0.00 N ATOM 244 CA MET A 726 7.904 -6.769 -5.879 1.00 0.00 C ATOM 245 C MET A 726 6.496 -7.356 -5.842 1.00 0.00 C ATOM 246 O MET A 726 5.524 -6.643 -5.595 1.00 0.00 O ATOM 247 CB MET A 726 8.531 -7.004 -7.255 1.00 0.00 C ATOM 248 CG MET A 726 9.822 -6.233 -7.474 1.00 0.00 C ATOM 249 SD MET A 726 9.649 -4.473 -7.122 1.00 0.00 S ATOM 250 CE MET A 726 9.305 -3.832 -8.759 1.00 0.00 C ATOM 0 H MET A 726 9.535 -7.887 -5.182 1.00 0.00 H new ATOM 0 HA MET A 726 7.836 -5.696 -5.697 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.728 -8.069 -7.378 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.813 -6.721 -8.025 1.00 0.00 H new ATOM 0 HG2 MET A 726 10.603 -6.651 -6.839 1.00 0.00 H new ATOM 0 HG3 MET A 726 10.147 -6.363 -8.506 1.00 0.00 H new ATOM 0 HE1 MET A 726 9.173 -2.751 -8.706 1.00 0.00 H new ATOM 0 HE2 MET A 726 10.138 -4.064 -9.423 1.00 0.00 H new ATOM 0 HE3 MET A 726 8.395 -4.290 -9.145 1.00 0.00 H new ATOM 260 N GLN A 727 6.396 -8.658 -6.090 1.00 0.00 N ATOM 261 CA GLN A 727 5.107 -9.339 -6.086 1.00 0.00 C ATOM 262 C GLN A 727 4.286 -8.942 -4.863 1.00 0.00 C ATOM 263 O GLN A 727 3.071 -8.766 -4.949 1.00 0.00 O ATOM 264 CB GLN A 727 5.307 -10.855 -6.110 1.00 0.00 C ATOM 265 CG GLN A 727 6.150 -11.376 -4.957 1.00 0.00 C ATOM 266 CD GLN A 727 6.210 -12.890 -4.916 1.00 0.00 C ATOM 267 OE1 GLN A 727 6.291 -13.548 -5.954 1.00 0.00 O ATOM 268 NE2 GLN A 727 6.172 -13.452 -3.713 1.00 0.00 N ATOM 0 H GLN A 727 7.192 -9.262 -6.296 1.00 0.00 H new ATOM 0 HA GLN A 727 4.562 -9.038 -6.981 1.00 0.00 H new ATOM 0 HB2 GLN A 727 4.332 -11.342 -6.086 1.00 0.00 H new ATOM 0 HB3 GLN A 727 5.780 -11.136 -7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 727 7.161 -10.978 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 727 5.741 -11.007 -4.017 1.00 0.00 H new ATOM 0 HE21 GLN A 727 6.105 -12.868 -2.879 1.00 0.00 H new ATOM 0 HE22 GLN A 727 6.210 -14.467 -3.623 1.00 0.00 H new ATOM 277 N ALA A 728 4.958 -8.802 -3.725 1.00 0.00 N ATOM 278 CA ALA A 728 4.291 -8.425 -2.485 1.00 0.00 C ATOM 279 C ALA A 728 3.847 -6.966 -2.523 1.00 0.00 C ATOM 280 O ALA A 728 2.734 -6.634 -2.114 1.00 0.00 O ATOM 281 CB ALA A 728 5.209 -8.669 -1.296 1.00 0.00 C ATOM 0 H ALA A 728 5.964 -8.944 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 728 3.402 -9.046 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.698 -8.383 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.473 -9.726 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.115 -8.073 -1.408 1.00 0.00 H new ATOM 287 N LYS A 729 4.724 -6.098 -3.015 1.00 0.00 N ATOM 288 CA LYS A 729 4.423 -4.675 -3.107 1.00 0.00 C ATOM 289 C LYS A 729 3.218 -4.430 -4.010 1.00 0.00 C ATOM 290 O LYS A 729 2.450 -3.493 -3.795 1.00 0.00 O ATOM 291 CB LYS A 729 5.636 -3.909 -3.640 1.00 0.00 C ATOM 292 CG LYS A 729 6.611 -3.484 -2.556 1.00 0.00 C ATOM 293 CD LYS A 729 7.665 -2.532 -3.095 1.00 0.00 C ATOM 294 CE LYS A 729 8.727 -2.225 -2.050 1.00 0.00 C ATOM 295 NZ LYS A 729 9.867 -1.459 -2.626 1.00 0.00 N ATOM 0 H LYS A 729 5.650 -6.356 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 729 4.184 -4.315 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.160 -4.533 -4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.290 -3.024 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 729 6.066 -3.003 -1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 729 7.096 -4.365 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.136 -2.970 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 729 7.190 -1.605 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.281 -1.654 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 729 9.095 -3.157 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 10.569 -1.270 -1.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 10.309 -2.014 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.520 -0.558 -3.012 1.00 0.00 H new ATOM 309 N GLU A 730 3.059 -5.281 -5.020 1.00 0.00 N ATOM 310 CA GLU A 730 1.946 -5.156 -5.954 1.00 0.00 C ATOM 311 C GLU A 730 0.640 -5.608 -5.308 1.00 0.00 C ATOM 312 O GLU A 730 -0.371 -4.908 -5.370 1.00 0.00 O ATOM 313 CB GLU A 730 2.216 -5.979 -7.216 1.00 0.00 C ATOM 314 CG GLU A 730 1.014 -6.091 -8.138 1.00 0.00 C ATOM 315 CD GLU A 730 1.336 -6.811 -9.432 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.950 -6.187 -10.323 1.00 0.00 O ATOM 317 OE2 GLU A 730 0.976 -8.001 -9.554 1.00 0.00 O ATOM 0 H GLU A 730 3.686 -6.063 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 730 1.851 -4.105 -6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.043 -5.527 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 730 2.535 -6.980 -6.926 1.00 0.00 H new ATOM 0 HG2 GLU A 730 0.213 -6.620 -7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 730 0.641 -5.092 -8.365 1.00 0.00 H new ATOM 324 N ASP A 731 0.669 -6.783 -4.689 1.00 0.00 N ATOM 325 CA ASP A 731 -0.512 -7.330 -4.031 1.00 0.00 C ATOM 326 C ASP A 731 -0.957 -6.432 -2.880 1.00 0.00 C ATOM 327 O ASP A 731 -2.125 -6.439 -2.491 1.00 0.00 O ATOM 328 CB ASP A 731 -0.226 -8.740 -3.513 1.00 0.00 C ATOM 329 CG ASP A 731 -0.053 -9.745 -4.635 1.00 0.00 C ATOM 330 OD1 ASP A 731 -0.852 -9.708 -5.593 1.00 0.00 O ATOM 331 OD2 ASP A 731 0.883 -10.568 -4.554 1.00 0.00 O ATOM 0 H ASP A 731 1.497 -7.375 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.317 -7.377 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.676 -8.723 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.043 -9.059 -2.866 1.00 0.00 H new ATOM 336 N PHE A 732 -0.019 -5.662 -2.340 1.00 0.00 N ATOM 337 CA PHE A 732 -0.314 -4.761 -1.232 1.00 0.00 C ATOM 338 C PHE A 732 -1.029 -3.507 -1.727 1.00 0.00 C ATOM 339 O PHE A 732 -2.191 -3.269 -1.396 1.00 0.00 O ATOM 340 CB PHE A 732 0.975 -4.373 -0.505 1.00 0.00 C ATOM 341 CG PHE A 732 0.740 -3.605 0.764 1.00 0.00 C ATOM 342 CD1 PHE A 732 -0.009 -4.153 1.792 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.268 -2.334 0.928 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.227 -3.449 2.962 1.00 0.00 C ATOM 345 CE2 PHE A 732 1.053 -1.625 2.095 1.00 0.00 C ATOM 346 CZ PHE A 732 0.304 -2.183 3.112 1.00 0.00 C ATOM 0 H PHE A 732 0.952 -5.644 -2.651 1.00 0.00 H new ATOM 0 HA PHE A 732 -0.972 -5.283 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.538 -5.277 -0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.593 -3.774 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.428 -5.142 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.854 -1.893 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.811 -3.888 3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.470 -0.636 2.211 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.134 -1.630 4.024 1.00 0.00 H new ATOM 356 N LYS A 733 -0.326 -2.707 -2.522 1.00 0.00 N ATOM 357 CA LYS A 733 -0.892 -1.478 -3.064 1.00 0.00 C ATOM 358 C LYS A 733 -2.255 -1.738 -3.697 1.00 0.00 C ATOM 359 O LYS A 733 -3.177 -0.934 -3.562 1.00 0.00 O ATOM 360 CB LYS A 733 0.056 -0.871 -4.102 1.00 0.00 C ATOM 361 CG LYS A 733 0.247 -1.740 -5.333 1.00 0.00 C ATOM 362 CD LYS A 733 1.007 -1.003 -6.423 1.00 0.00 C ATOM 363 CE LYS A 733 2.500 -0.971 -6.138 1.00 0.00 C ATOM 364 NZ LYS A 733 3.199 -2.157 -6.705 1.00 0.00 N ATOM 0 H LYS A 733 0.637 -2.888 -2.805 1.00 0.00 H new ATOM 0 HA LYS A 733 -1.022 -0.774 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 733 -0.330 0.101 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 733 1.026 -0.696 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 733 0.788 -2.646 -5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -0.725 -2.052 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 733 0.829 -1.488 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 733 0.629 0.016 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 733 2.930 -0.061 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 733 2.663 -0.934 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 3.483 -2.794 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 2.559 -2.661 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 4.044 -1.846 -7.226 1.00 0.00 H new ATOM 378 N LYS A 734 -2.377 -2.868 -4.385 1.00 0.00 N ATOM 379 CA LYS A 734 -3.628 -3.238 -5.036 1.00 0.00 C ATOM 380 C LYS A 734 -4.662 -3.689 -4.010 1.00 0.00 C ATOM 381 O LYS A 734 -5.830 -3.305 -4.081 1.00 0.00 O ATOM 382 CB LYS A 734 -3.387 -4.352 -6.057 1.00 0.00 C ATOM 383 CG LYS A 734 -2.599 -3.901 -7.274 1.00 0.00 C ATOM 384 CD LYS A 734 -2.915 -4.754 -8.491 1.00 0.00 C ATOM 385 CE LYS A 734 -2.190 -4.250 -9.729 1.00 0.00 C ATOM 386 NZ LYS A 734 -2.650 -4.945 -10.963 1.00 0.00 N ATOM 0 H LYS A 734 -1.623 -3.544 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 734 -4.013 -2.359 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.854 -5.169 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.348 -4.748 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -2.828 -2.858 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.532 -3.955 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -2.629 -5.788 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -3.990 -4.749 -8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -2.353 -3.177 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -1.117 -4.399 -9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -2.132 -4.573 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -2.471 -5.966 -10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -3.669 -4.782 -11.094 1.00 0.00 H new ATOM 400 N MET A 735 -4.226 -4.505 -3.056 1.00 0.00 N ATOM 401 CA MET A 735 -5.114 -5.006 -2.014 1.00 0.00 C ATOM 402 C MET A 735 -5.753 -3.855 -1.243 1.00 0.00 C ATOM 403 O MET A 735 -6.944 -3.887 -0.936 1.00 0.00 O ATOM 404 CB MET A 735 -4.346 -5.915 -1.052 1.00 0.00 C ATOM 405 CG MET A 735 -5.034 -6.098 0.291 1.00 0.00 C ATOM 406 SD MET A 735 -4.609 -4.802 1.471 1.00 0.00 S ATOM 407 CE MET A 735 -2.873 -5.147 1.742 1.00 0.00 C ATOM 0 H MET A 735 -3.263 -4.833 -2.983 1.00 0.00 H new ATOM 0 HA MET A 735 -5.905 -5.582 -2.493 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.211 -6.891 -1.518 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.352 -5.499 -0.888 1.00 0.00 H new ATOM 0 HG2 MET A 735 -6.114 -6.110 0.143 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.759 -7.067 0.707 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.624 -4.963 2.787 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.667 -6.189 1.498 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.270 -4.499 1.106 1.00 0.00 H new ATOM 417 N MET A 736 -4.952 -2.840 -0.935 1.00 0.00 N ATOM 418 CA MET A 736 -5.441 -1.678 -0.201 1.00 0.00 C ATOM 419 C MET A 736 -6.412 -0.867 -1.052 1.00 0.00 C ATOM 420 O MET A 736 -7.491 -0.493 -0.592 1.00 0.00 O ATOM 421 CB MET A 736 -4.270 -0.797 0.238 1.00 0.00 C ATOM 422 CG MET A 736 -3.557 -1.307 1.480 1.00 0.00 C ATOM 423 SD MET A 736 -2.497 -0.060 2.235 1.00 0.00 S ATOM 424 CE MET A 736 -1.361 0.278 0.891 1.00 0.00 C ATOM 0 H MET A 736 -3.963 -2.798 -1.182 1.00 0.00 H new ATOM 0 HA MET A 736 -5.971 -2.033 0.683 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.553 -0.727 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.636 0.212 0.428 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.297 -1.638 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.956 -2.178 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.463 0.755 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 736 -1.090 -0.657 0.400 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.838 0.942 0.170 1.00 0.00 H new ATOM 434 N GLU A 737 -6.022 -0.598 -2.294 1.00 0.00 N ATOM 435 CA GLU A 737 -6.860 0.171 -3.207 1.00 0.00 C ATOM 436 C GLU A 737 -8.278 -0.390 -3.247 1.00 0.00 C ATOM 437 O GLU A 737 -9.253 0.361 -3.250 1.00 0.00 O ATOM 438 CB GLU A 737 -6.257 0.165 -4.614 1.00 0.00 C ATOM 439 CG GLU A 737 -5.215 1.248 -4.835 1.00 0.00 C ATOM 440 CD GLU A 737 -4.879 1.445 -6.300 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.796 1.324 -7.139 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.701 1.719 -6.608 1.00 0.00 O ATOM 0 H GLU A 737 -5.132 -0.901 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.904 1.197 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.803 -0.808 -4.801 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -7.057 0.289 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -5.580 2.188 -4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -4.307 0.990 -4.290 1.00 0.00 H new ATOM 449 N GLU A 738 -8.384 -1.715 -3.278 1.00 0.00 N ATOM 450 CA GLU A 738 -9.683 -2.376 -3.320 1.00 0.00 C ATOM 451 C GLU A 738 -10.410 -2.230 -1.986 1.00 0.00 C ATOM 452 O GLU A 738 -11.598 -1.910 -1.947 1.00 0.00 O ATOM 453 CB GLU A 738 -9.515 -3.858 -3.662 1.00 0.00 C ATOM 454 CG GLU A 738 -8.958 -4.102 -5.054 1.00 0.00 C ATOM 455 CD GLU A 738 -8.830 -5.577 -5.381 1.00 0.00 C ATOM 456 OE1 GLU A 738 -9.824 -6.312 -5.208 1.00 0.00 O ATOM 457 OE2 GLU A 738 -7.734 -5.996 -5.810 1.00 0.00 O ATOM 0 H GLU A 738 -7.587 -2.351 -3.275 1.00 0.00 H new ATOM 0 HA GLU A 738 -10.281 -1.897 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.853 -4.319 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.482 -4.354 -3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -9.606 -3.626 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -7.980 -3.629 -5.138 1.00 0.00 H new ATOM 464 N ALA A 739 -9.688 -2.467 -0.896 1.00 0.00 N ATOM 465 CA ALA A 739 -10.263 -2.360 0.439 1.00 0.00 C ATOM 466 C ALA A 739 -11.071 -1.075 0.589 1.00 0.00 C ATOM 467 O ALA A 739 -12.061 -1.033 1.319 1.00 0.00 O ATOM 468 CB ALA A 739 -9.167 -2.423 1.493 1.00 0.00 C ATOM 0 H ALA A 739 -8.704 -2.734 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.940 -3.202 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.611 -2.342 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.636 -3.371 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.468 -1.601 1.340 1.00 0.00 H new ATOM 474 N LYS A 740 -10.641 -0.028 -0.107 1.00 0.00 N ATOM 475 CA LYS A 740 -11.323 1.259 -0.053 1.00 0.00 C ATOM 476 C LYS A 740 -11.446 1.750 1.386 1.00 0.00 C ATOM 477 O LYS A 740 -12.523 2.152 1.826 1.00 0.00 O ATOM 478 CB LYS A 740 -12.713 1.150 -0.686 1.00 0.00 C ATOM 479 CG LYS A 740 -12.725 1.431 -2.178 1.00 0.00 C ATOM 480 CD LYS A 740 -14.075 1.957 -2.636 1.00 0.00 C ATOM 481 CE LYS A 740 -14.156 3.471 -2.508 1.00 0.00 C ATOM 482 NZ LYS A 740 -15.367 4.020 -3.177 1.00 0.00 N ATOM 0 H LYS A 740 -9.823 -0.046 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 740 -10.729 1.980 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -13.106 0.148 -0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -13.386 1.848 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -11.950 2.158 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -12.485 0.518 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -14.246 1.669 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -14.866 1.498 -2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -14.168 3.746 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -13.264 3.921 -2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -15.386 5.054 -3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -15.344 3.779 -4.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -16.219 3.611 -2.743 1.00 0.00 H new ATOM 496 N PHE A 741 -10.335 1.717 2.114 1.00 0.00 N ATOM 497 CA PHE A 741 -10.318 2.159 3.504 1.00 0.00 C ATOM 498 C PHE A 741 -10.052 3.659 3.594 1.00 0.00 C ATOM 499 O PHE A 741 -9.564 4.271 2.645 1.00 0.00 O ATOM 500 CB PHE A 741 -9.254 1.392 4.292 1.00 0.00 C ATOM 501 CG PHE A 741 -7.847 1.765 3.920 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.350 3.025 4.214 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.022 0.856 3.277 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.056 3.370 3.872 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.728 1.196 2.933 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.244 2.455 3.232 1.00 0.00 C ATOM 0 H PHE A 741 -9.435 1.389 1.765 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.297 1.955 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.400 1.574 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.393 0.323 4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -7.980 3.745 4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.395 -0.130 3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.680 4.355 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.096 0.479 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.232 2.723 2.966 1.00 0.00 H new ATOM 516 N ASN A 742 -10.376 4.243 4.743 1.00 0.00 N ATOM 517 CA ASN A 742 -10.174 5.671 4.958 1.00 0.00 C ATOM 518 C ASN A 742 -8.804 5.940 5.575 1.00 0.00 C ATOM 519 O ASN A 742 -8.300 5.166 6.389 1.00 0.00 O ATOM 520 CB ASN A 742 -11.272 6.233 5.863 1.00 0.00 C ATOM 521 CG ASN A 742 -11.252 5.615 7.248 1.00 0.00 C ATOM 522 OD1 ASN A 742 -10.827 4.473 7.424 1.00 0.00 O ATOM 523 ND2 ASN A 742 -11.712 6.370 8.239 1.00 0.00 N ATOM 0 H ASN A 742 -10.779 3.749 5.539 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.221 6.169 3.989 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.152 7.313 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -12.244 6.056 5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -11.723 6.009 9.193 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -12.055 7.311 8.046 1.00 0.00 H new ATOM 530 N PRO A 743 -8.187 7.063 5.179 1.00 0.00 N ATOM 531 CA PRO A 743 -6.868 7.460 5.681 1.00 0.00 C ATOM 532 C PRO A 743 -6.909 7.882 7.146 1.00 0.00 C ATOM 533 O PRO A 743 -5.872 7.979 7.803 1.00 0.00 O ATOM 534 CB PRO A 743 -6.494 8.649 4.793 1.00 0.00 C ATOM 535 CG PRO A 743 -7.798 9.206 4.336 1.00 0.00 C ATOM 536 CD PRO A 743 -8.729 8.031 4.211 1.00 0.00 C ATOM 0 HA PRO A 743 -6.152 6.639 5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -5.919 9.391 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -5.880 8.335 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -8.183 9.935 5.050 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -7.689 9.721 3.382 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -9.757 8.305 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -8.733 7.627 3.198 1.00 0.00 H new ATOM 544 N ARG A 744 -8.112 8.132 7.652 1.00 0.00 N ATOM 545 CA ARG A 744 -8.287 8.544 9.040 1.00 0.00 C ATOM 546 C ARG A 744 -7.805 7.456 9.995 1.00 0.00 C ATOM 547 O ARG A 744 -7.188 7.745 11.020 1.00 0.00 O ATOM 548 CB ARG A 744 -9.757 8.866 9.317 1.00 0.00 C ATOM 549 CG ARG A 744 -10.337 9.913 8.381 1.00 0.00 C ATOM 550 CD ARG A 744 -11.817 10.141 8.649 1.00 0.00 C ATOM 551 NE ARG A 744 -12.049 10.740 9.961 1.00 0.00 N ATOM 552 CZ ARG A 744 -13.227 10.729 10.575 1.00 0.00 C ATOM 553 NH1 ARG A 744 -14.274 10.153 10.000 1.00 0.00 N ATOM 554 NH2 ARG A 744 -13.360 11.295 11.768 1.00 0.00 N ATOM 0 H ARG A 744 -8.980 8.057 7.122 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.688 9.440 9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.343 7.951 9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -9.857 9.215 10.345 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -9.795 10.851 8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.198 9.596 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.230 10.789 7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -12.348 9.191 8.585 1.00 0.00 H new ATOM 0 HE ARG A 744 -11.264 11.191 10.431 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -14.176 9.716 9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -15.177 10.146 10.474 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -12.557 11.739 12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -14.265 11.286 12.239 1.00 0.00 H new ATOM 568 N ALA A 745 -8.091 6.204 9.651 1.00 0.00 N ATOM 569 CA ALA A 745 -7.685 5.073 10.476 1.00 0.00 C ATOM 570 C ALA A 745 -6.174 5.055 10.678 1.00 0.00 C ATOM 571 O ALA A 745 -5.412 5.413 9.779 1.00 0.00 O ATOM 572 CB ALA A 745 -8.152 3.768 9.849 1.00 0.00 C ATOM 0 H ALA A 745 -8.602 5.948 8.806 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.154 5.181 11.454 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.842 2.932 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.239 3.774 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.711 3.662 8.858 1.00 0.00 H new ATOM 578 N THR A 746 -5.745 4.636 11.864 1.00 0.00 N ATOM 579 CA THR A 746 -4.324 4.573 12.185 1.00 0.00 C ATOM 580 C THR A 746 -3.698 3.288 11.654 1.00 0.00 C ATOM 581 O THR A 746 -4.324 2.228 11.669 1.00 0.00 O ATOM 582 CB THR A 746 -4.087 4.657 13.704 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.685 4.587 13.986 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.811 3.532 14.428 1.00 0.00 C ATOM 0 H THR A 746 -6.361 4.335 12.619 1.00 0.00 H new ATOM 0 HA THR A 746 -3.852 5.430 11.704 1.00 0.00 H new ATOM 0 HB THR A 746 -4.482 5.609 14.058 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.543 4.643 14.954 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.629 3.612 15.500 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.881 3.605 14.236 1.00 0.00 H new ATOM 0 HG23 THR A 746 -4.442 2.571 14.068 1.00 0.00 H new ATOM 592 N PHE A 747 -2.458 3.389 11.187 1.00 0.00 N ATOM 593 CA PHE A 747 -1.746 2.235 10.651 1.00 0.00 C ATOM 594 C PHE A 747 -2.047 0.983 11.470 1.00 0.00 C ATOM 595 O PHE A 747 -2.342 -0.077 10.919 1.00 0.00 O ATOM 596 CB PHE A 747 -0.239 2.499 10.637 1.00 0.00 C ATOM 597 CG PHE A 747 0.582 1.271 10.367 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.322 0.477 9.262 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.614 0.911 11.219 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.077 -0.654 9.010 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.372 -0.218 10.972 1.00 0.00 C ATOM 602 CZ PHE A 747 2.103 -1.002 9.867 1.00 0.00 C ATOM 0 H PHE A 747 -1.925 4.259 11.169 1.00 0.00 H new ATOM 0 HA PHE A 747 -2.088 2.071 9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 747 -0.017 3.249 9.878 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.057 2.920 11.598 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.480 0.744 8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 747 1.828 1.519 12.085 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.865 -1.264 8.145 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.174 -0.487 11.643 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.694 -1.885 9.673 1.00 0.00 H new ATOM 612 N SER A 748 -1.968 1.114 12.791 1.00 0.00 N ATOM 613 CA SER A 748 -2.227 -0.007 13.687 1.00 0.00 C ATOM 614 C SER A 748 -3.578 -0.646 13.381 1.00 0.00 C ATOM 615 O SER A 748 -3.672 -1.856 13.176 1.00 0.00 O ATOM 616 CB SER A 748 -2.188 0.458 15.144 1.00 0.00 C ATOM 617 OG SER A 748 -2.477 -0.611 16.028 1.00 0.00 O ATOM 0 H SER A 748 -1.727 1.985 13.264 1.00 0.00 H new ATOM 0 HA SER A 748 -1.448 -0.753 13.530 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.204 0.867 15.372 1.00 0.00 H new ATOM 0 HB3 SER A 748 -2.909 1.262 15.292 1.00 0.00 H new ATOM 0 HG SER A 748 -2.444 -0.289 16.953 1.00 0.00 H new ATOM 623 N GLU A 749 -4.622 0.176 13.353 1.00 0.00 N ATOM 624 CA GLU A 749 -5.969 -0.309 13.073 1.00 0.00 C ATOM 625 C GLU A 749 -6.030 -0.986 11.707 1.00 0.00 C ATOM 626 O GLU A 749 -6.585 -2.076 11.566 1.00 0.00 O ATOM 627 CB GLU A 749 -6.972 0.845 13.128 1.00 0.00 C ATOM 628 CG GLU A 749 -7.453 1.166 14.533 1.00 0.00 C ATOM 629 CD GLU A 749 -8.833 1.795 14.548 1.00 0.00 C ATOM 630 OE1 GLU A 749 -8.923 3.033 14.413 1.00 0.00 O ATOM 631 OE2 GLU A 749 -9.823 1.048 14.694 1.00 0.00 O ATOM 0 H GLU A 749 -4.561 1.180 13.521 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.229 -1.043 13.835 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.513 1.735 12.698 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.832 0.598 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -7.468 0.251 15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -6.744 1.843 15.010 1.00 0.00 H new ATOM 638 N PHE A 750 -5.456 -0.332 10.702 1.00 0.00 N ATOM 639 CA PHE A 750 -5.447 -0.868 9.347 1.00 0.00 C ATOM 640 C PHE A 750 -4.767 -2.234 9.307 1.00 0.00 C ATOM 641 O PHE A 750 -5.389 -3.239 8.963 1.00 0.00 O ATOM 642 CB PHE A 750 -4.732 0.097 8.398 1.00 0.00 C ATOM 643 CG PHE A 750 -4.304 -0.539 7.107 1.00 0.00 C ATOM 644 CD1 PHE A 750 -5.229 -0.808 6.111 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.975 -0.868 6.889 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.837 -1.393 4.921 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.578 -1.453 5.701 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.511 -1.716 4.717 1.00 0.00 C ATOM 0 H PHE A 750 -4.991 0.570 10.801 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.481 -0.986 9.023 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.393 0.935 8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.855 0.505 8.901 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -6.268 -0.558 6.266 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.242 -0.665 7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.568 -1.597 4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.540 -1.704 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 750 -3.203 -2.174 3.789 1.00 0.00 H new ATOM 658 N ALA A 751 -3.487 -2.261 9.662 1.00 0.00 N ATOM 659 CA ALA A 751 -2.722 -3.503 9.669 1.00 0.00 C ATOM 660 C ALA A 751 -3.547 -4.652 10.239 1.00 0.00 C ATOM 661 O ALA A 751 -3.684 -5.701 9.611 1.00 0.00 O ATOM 662 CB ALA A 751 -1.437 -3.327 10.464 1.00 0.00 C ATOM 0 H ALA A 751 -2.957 -1.438 9.949 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.467 -3.750 8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.876 -4.262 10.461 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.834 -2.540 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.679 -3.053 11.491 1.00 0.00 H new ATOM 668 N ALA A 752 -4.092 -4.447 11.434 1.00 0.00 N ATOM 669 CA ALA A 752 -4.904 -5.465 12.088 1.00 0.00 C ATOM 670 C ALA A 752 -6.216 -5.684 11.342 1.00 0.00 C ATOM 671 O ALA A 752 -6.783 -6.777 11.370 1.00 0.00 O ATOM 672 CB ALA A 752 -5.175 -5.076 13.534 1.00 0.00 C ATOM 0 H ALA A 752 -3.986 -3.585 11.969 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.348 -6.402 12.074 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.783 -5.846 14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.230 -4.978 14.068 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.707 -4.125 13.561 1.00 0.00 H new ATOM 678 N LYS A 753 -6.694 -4.639 10.677 1.00 0.00 N ATOM 679 CA LYS A 753 -7.940 -4.716 9.923 1.00 0.00 C ATOM 680 C LYS A 753 -7.776 -5.601 8.691 1.00 0.00 C ATOM 681 O LYS A 753 -8.689 -6.339 8.318 1.00 0.00 O ATOM 682 CB LYS A 753 -8.393 -3.316 9.501 1.00 0.00 C ATOM 683 CG LYS A 753 -9.075 -2.538 10.613 1.00 0.00 C ATOM 684 CD LYS A 753 -10.574 -2.784 10.627 1.00 0.00 C ATOM 685 CE LYS A 753 -10.903 -4.193 11.096 1.00 0.00 C ATOM 686 NZ LYS A 753 -10.963 -5.156 9.962 1.00 0.00 N ATOM 0 H LYS A 753 -6.237 -3.727 10.644 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.699 -5.158 10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.527 -2.753 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.077 -3.403 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -8.649 -2.826 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.881 -1.473 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -11.057 -2.059 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -10.979 -2.628 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -10.150 -4.522 11.812 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -11.860 -4.188 11.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -11.948 -5.452 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -10.601 -4.700 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -10.381 -5.989 10.183 1.00 0.00 H new ATOM 700 N HIS A 754 -6.607 -5.523 8.063 1.00 0.00 N ATOM 701 CA HIS A 754 -6.323 -6.319 6.875 1.00 0.00 C ATOM 702 C HIS A 754 -5.174 -7.290 7.132 1.00 0.00 C ATOM 703 O HIS A 754 -4.407 -7.613 6.226 1.00 0.00 O ATOM 704 CB HIS A 754 -5.982 -5.409 5.695 1.00 0.00 C ATOM 705 CG HIS A 754 -7.184 -4.802 5.039 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.986 -3.785 5.430 1.00 0.00 N flip ATOM 707 CD2 HIS A 754 -7.685 -5.242 3.832 1.00 0.00 C flip ATOM 708 CE1 HIS A 754 -8.947 -3.629 4.462 1.00 0.00 C flip ATOM 709 NE2 HIS A 754 -8.743 -4.520 3.508 1.00 0.00 N flip ATOM 0 H HIS A 754 -5.841 -4.917 8.357 1.00 0.00 H new ATOM 0 HA HIS A 754 -7.216 -6.896 6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -5.325 -4.611 6.041 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -5.425 -5.982 4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 754 -7.894 -3.236 6.285 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -7.276 -6.050 3.244 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -9.741 -2.897 4.478 1.00 0.00 H new ATOM 717 N ALA A 755 -5.062 -7.751 8.374 1.00 0.00 N ATOM 718 CA ALA A 755 -4.008 -8.685 8.750 1.00 0.00 C ATOM 719 C ALA A 755 -4.315 -10.091 8.245 1.00 0.00 C ATOM 720 O ALA A 755 -3.424 -10.806 7.789 1.00 0.00 O ATOM 721 CB ALA A 755 -3.824 -8.693 10.260 1.00 0.00 C ATOM 0 H ALA A 755 -5.688 -7.493 9.136 1.00 0.00 H new ATOM 0 HA ALA A 755 -3.080 -8.354 8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -3.034 -9.395 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.551 -7.694 10.599 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.755 -8.996 10.738 1.00 0.00 H new ATOM 727 N LYS A 756 -5.582 -10.482 8.331 1.00 0.00 N ATOM 728 CA LYS A 756 -6.008 -11.802 7.883 1.00 0.00 C ATOM 729 C LYS A 756 -5.711 -11.995 6.399 1.00 0.00 C ATOM 730 O LYS A 756 -5.470 -13.114 5.946 1.00 0.00 O ATOM 731 CB LYS A 756 -7.504 -11.994 8.144 1.00 0.00 C ATOM 732 CG LYS A 756 -7.852 -12.127 9.617 1.00 0.00 C ATOM 733 CD LYS A 756 -7.407 -13.467 10.177 1.00 0.00 C ATOM 734 CE LYS A 756 -8.060 -13.755 11.520 1.00 0.00 C ATOM 735 NZ LYS A 756 -9.416 -14.349 11.361 1.00 0.00 N ATOM 0 H LYS A 756 -6.332 -9.903 8.707 1.00 0.00 H new ATOM 0 HA LYS A 756 -5.448 -12.548 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -8.049 -11.148 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.845 -12.885 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -7.377 -11.322 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -8.928 -12.016 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -7.659 -14.259 9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -6.323 -13.473 10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.430 -14.436 12.092 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -8.133 -12.831 12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -9.828 -14.531 12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -10.025 -13.688 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -9.344 -15.244 10.836 1.00 0.00 H new ATOM 749 N ASP A 757 -5.730 -10.899 5.650 1.00 0.00 N ATOM 750 CA ASP A 757 -5.460 -10.947 4.217 1.00 0.00 C ATOM 751 C ASP A 757 -4.055 -11.476 3.947 1.00 0.00 C ATOM 752 O ASP A 757 -3.071 -10.748 4.081 1.00 0.00 O ATOM 753 CB ASP A 757 -5.624 -9.558 3.599 1.00 0.00 C ATOM 754 CG ASP A 757 -5.694 -9.603 2.085 1.00 0.00 C ATOM 755 OD1 ASP A 757 -4.695 -10.014 1.457 1.00 0.00 O ATOM 756 OD2 ASP A 757 -6.747 -9.229 1.528 1.00 0.00 O ATOM 0 H ASP A 757 -5.929 -9.966 6.011 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.179 -11.626 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.531 -9.095 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.788 -8.927 3.903 1.00 0.00 H new ATOM 761 N SER A 758 -3.969 -12.746 3.566 1.00 0.00 N ATOM 762 CA SER A 758 -2.684 -13.374 3.281 1.00 0.00 C ATOM 763 C SER A 758 -1.725 -12.379 2.634 1.00 0.00 C ATOM 764 O SER A 758 -0.664 -12.077 3.181 1.00 0.00 O ATOM 765 CB SER A 758 -2.875 -14.584 2.366 1.00 0.00 C ATOM 766 OG SER A 758 -1.689 -15.355 2.284 1.00 0.00 O ATOM 0 H SER A 758 -4.774 -13.361 3.447 1.00 0.00 H new ATOM 0 HA SER A 758 -2.253 -13.707 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.689 -15.203 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 758 -3.164 -14.248 1.370 1.00 0.00 H new ATOM 0 HG SER A 758 -1.838 -16.123 1.694 1.00 0.00 H new ATOM 772 N ARG A 759 -2.107 -11.873 1.466 1.00 0.00 N ATOM 773 CA ARG A 759 -1.281 -10.913 0.743 1.00 0.00 C ATOM 774 C ARG A 759 -0.681 -9.885 1.697 1.00 0.00 C ATOM 775 O ARG A 759 0.534 -9.683 1.725 1.00 0.00 O ATOM 776 CB ARG A 759 -2.108 -10.205 -0.332 1.00 0.00 C ATOM 777 CG ARG A 759 -2.722 -11.152 -1.350 1.00 0.00 C ATOM 778 CD ARG A 759 -1.661 -11.765 -2.251 1.00 0.00 C ATOM 779 NE ARG A 759 -1.015 -12.918 -1.630 1.00 0.00 N ATOM 780 CZ ARG A 759 -0.203 -13.744 -2.281 1.00 0.00 C ATOM 781 NH1 ARG A 759 0.060 -13.545 -3.565 1.00 0.00 N ATOM 782 NH2 ARG A 759 0.347 -14.771 -1.646 1.00 0.00 N ATOM 0 H ARG A 759 -2.983 -12.112 1.000 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.467 -11.459 0.266 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -2.904 -9.637 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -1.474 -9.487 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -3.263 -11.944 -0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.450 -10.613 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -2.117 -12.069 -3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -0.909 -11.013 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 759 -1.197 -13.099 -0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -0.361 -12.756 -4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 759 0.684 -14.181 -4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 759 0.146 -14.926 -0.658 1.00 0.00 H new ATOM 0 HH22 ARG A 759 0.970 -15.405 -2.146 1.00 0.00 H new ATOM 796 N PHE A 760 -1.539 -9.238 2.478 1.00 0.00 N ATOM 797 CA PHE A 760 -1.094 -8.229 3.433 1.00 0.00 C ATOM 798 C PHE A 760 0.021 -8.775 4.321 1.00 0.00 C ATOM 799 O PHE A 760 1.039 -8.117 4.535 1.00 0.00 O ATOM 800 CB PHE A 760 -2.266 -7.761 4.296 1.00 0.00 C ATOM 801 CG PHE A 760 -1.842 -7.031 5.539 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.425 -7.730 6.660 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.860 -5.646 5.585 1.00 0.00 C ATOM 804 CE1 PHE A 760 -1.034 -7.062 7.805 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.470 -4.973 6.727 1.00 0.00 C ATOM 806 CZ PHE A 760 -1.057 -5.681 7.839 1.00 0.00 C ATOM 0 H PHE A 760 -2.547 -9.394 2.469 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.704 -7.380 2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.906 -7.109 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.866 -8.626 4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.405 -8.810 6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.182 -5.087 4.719 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.711 -7.619 8.672 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.488 -3.893 6.750 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.753 -5.156 8.733 1.00 0.00 H new ATOM 816 N LYS A 761 -0.180 -9.984 4.836 1.00 0.00 N ATOM 817 CA LYS A 761 0.806 -10.621 5.700 1.00 0.00 C ATOM 818 C LYS A 761 2.188 -10.603 5.055 1.00 0.00 C ATOM 819 O LYS A 761 3.198 -10.421 5.734 1.00 0.00 O ATOM 820 CB LYS A 761 0.392 -12.063 6.004 1.00 0.00 C ATOM 821 CG LYS A 761 -0.993 -12.182 6.617 1.00 0.00 C ATOM 822 CD LYS A 761 -1.410 -13.634 6.774 1.00 0.00 C ATOM 823 CE LYS A 761 -0.717 -14.289 7.959 1.00 0.00 C ATOM 824 NZ LYS A 761 -1.452 -14.051 9.233 1.00 0.00 N ATOM 0 H LYS A 761 -1.017 -10.542 4.669 1.00 0.00 H new ATOM 0 HA LYS A 761 0.853 -10.058 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.423 -12.643 5.082 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.120 -12.506 6.684 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -1.004 -11.692 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.716 -11.661 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -2.490 -13.691 6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -1.171 -14.183 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -0.633 -15.361 7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.297 -13.900 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -0.948 -14.513 10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -1.510 -13.029 9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -2.412 -14.445 9.159 1.00 0.00 H new ATOM 838 N ALA A 762 2.224 -10.791 3.740 1.00 0.00 N ATOM 839 CA ALA A 762 3.482 -10.793 3.003 1.00 0.00 C ATOM 840 C ALA A 762 4.382 -9.646 3.452 1.00 0.00 C ATOM 841 O ALA A 762 5.590 -9.822 3.618 1.00 0.00 O ATOM 842 CB ALA A 762 3.218 -10.705 1.508 1.00 0.00 C ATOM 0 H ALA A 762 1.397 -10.944 3.163 1.00 0.00 H new ATOM 0 HA ALA A 762 3.998 -11.730 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 762 4.166 -10.707 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.620 -11.560 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.678 -9.784 1.287 1.00 0.00 H new ATOM 848 N ILE A 763 3.787 -8.474 3.644 1.00 0.00 N ATOM 849 CA ILE A 763 4.537 -7.299 4.074 1.00 0.00 C ATOM 850 C ILE A 763 4.699 -7.275 5.590 1.00 0.00 C ATOM 851 O ILE A 763 3.809 -6.825 6.311 1.00 0.00 O ATOM 852 CB ILE A 763 3.850 -5.997 3.621 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.549 -6.048 2.122 1.00 0.00 C ATOM 854 CG2 ILE A 763 4.723 -4.796 3.951 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.788 -6.151 1.260 1.00 0.00 C ATOM 0 H ILE A 763 2.789 -8.312 3.509 1.00 0.00 H new ATOM 0 HA ILE A 763 5.520 -7.363 3.607 1.00 0.00 H new ATOM 0 HB ILE A 763 2.907 -5.895 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.903 -6.902 1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.994 -5.153 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.224 -3.883 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 763 4.891 -4.753 5.027 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.680 -4.890 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.499 -6.183 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.426 -5.285 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.333 -7.060 1.514 1.00 0.00 H new ATOM 867 N GLU A 764 5.842 -7.760 6.065 1.00 0.00 N ATOM 868 CA GLU A 764 6.120 -7.792 7.496 1.00 0.00 C ATOM 869 C GLU A 764 7.013 -6.623 7.903 1.00 0.00 C ATOM 870 O GLU A 764 6.846 -6.044 8.976 1.00 0.00 O ATOM 871 CB GLU A 764 6.788 -9.115 7.878 1.00 0.00 C ATOM 872 CG GLU A 764 7.728 -9.001 9.066 1.00 0.00 C ATOM 873 CD GLU A 764 7.822 -10.289 9.861 1.00 0.00 C ATOM 874 OE1 GLU A 764 6.818 -11.030 9.910 1.00 0.00 O ATOM 875 OE2 GLU A 764 8.899 -10.556 10.435 1.00 0.00 O ATOM 0 H GLU A 764 6.589 -8.135 5.481 1.00 0.00 H new ATOM 0 HA GLU A 764 5.172 -7.705 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 764 6.016 -9.850 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 764 7.344 -9.493 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.721 -8.723 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.386 -8.199 9.720 1.00 0.00 H new ATOM 882 N LYS A 765 7.962 -6.283 7.038 1.00 0.00 N ATOM 883 CA LYS A 765 8.882 -5.183 7.305 1.00 0.00 C ATOM 884 C LYS A 765 8.131 -3.955 7.808 1.00 0.00 C ATOM 885 O LYS A 765 7.544 -3.210 7.024 1.00 0.00 O ATOM 886 CB LYS A 765 9.668 -4.830 6.040 1.00 0.00 C ATOM 887 CG LYS A 765 10.538 -5.965 5.528 1.00 0.00 C ATOM 888 CD LYS A 765 11.427 -5.512 4.382 1.00 0.00 C ATOM 889 CE LYS A 765 12.561 -6.496 4.134 1.00 0.00 C ATOM 890 NZ LYS A 765 13.549 -6.495 5.248 1.00 0.00 N ATOM 0 H LYS A 765 8.115 -6.753 6.146 1.00 0.00 H new ATOM 0 HA LYS A 765 9.577 -5.505 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 765 8.968 -4.538 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.298 -3.964 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.156 -6.346 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 765 9.906 -6.788 5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 765 10.830 -5.407 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.840 -4.529 4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 765 12.152 -7.499 4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 765 13.065 -6.242 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.443 -6.912 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 13.717 -5.518 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 13.178 -7.055 6.042 1.00 0.00 H new ATOM 904 N MET A 766 8.155 -3.750 9.121 1.00 0.00 N ATOM 905 CA MET A 766 7.477 -2.610 9.728 1.00 0.00 C ATOM 906 C MET A 766 7.702 -1.344 8.907 1.00 0.00 C ATOM 907 O MET A 766 6.782 -0.551 8.705 1.00 0.00 O ATOM 908 CB MET A 766 7.973 -2.398 11.160 1.00 0.00 C ATOM 909 CG MET A 766 7.088 -1.473 11.979 1.00 0.00 C ATOM 910 SD MET A 766 7.225 -1.771 13.752 1.00 0.00 S ATOM 911 CE MET A 766 6.044 -0.584 14.388 1.00 0.00 C ATOM 0 H MET A 766 8.636 -4.357 9.784 1.00 0.00 H new ATOM 0 HA MET A 766 6.408 -2.823 9.749 1.00 0.00 H new ATOM 0 HB2 MET A 766 8.036 -3.364 11.661 1.00 0.00 H new ATOM 0 HB3 MET A 766 8.983 -1.988 11.129 1.00 0.00 H new ATOM 0 HG2 MET A 766 7.356 -0.438 11.767 1.00 0.00 H new ATOM 0 HG3 MET A 766 6.050 -1.603 11.672 1.00 0.00 H new ATOM 0 HE1 MET A 766 6.014 -0.647 15.476 1.00 0.00 H new ATOM 0 HE2 MET A 766 6.343 0.421 14.091 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.055 -0.803 13.985 1.00 0.00 H new ATOM 921 N LYS A 767 8.931 -1.159 8.437 1.00 0.00 N ATOM 922 CA LYS A 767 9.277 0.010 7.637 1.00 0.00 C ATOM 923 C LYS A 767 8.475 0.039 6.340 1.00 0.00 C ATOM 924 O LYS A 767 7.914 1.070 5.969 1.00 0.00 O ATOM 925 CB LYS A 767 10.775 0.013 7.323 1.00 0.00 C ATOM 926 CG LYS A 767 11.634 0.538 8.460 1.00 0.00 C ATOM 927 CD LYS A 767 11.971 -0.559 9.456 1.00 0.00 C ATOM 928 CE LYS A 767 12.934 -1.575 8.862 1.00 0.00 C ATOM 929 NZ LYS A 767 13.495 -2.482 9.902 1.00 0.00 N ATOM 0 H LYS A 767 9.705 -1.804 8.596 1.00 0.00 H new ATOM 0 HA LYS A 767 9.031 0.901 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 767 11.089 -1.002 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.950 0.621 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 767 12.555 0.960 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 767 11.110 1.346 8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 767 12.412 -0.117 10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 767 11.056 -1.063 9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 767 12.418 -2.166 8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 767 13.748 -1.053 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 14.147 -3.160 9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 14.010 -1.921 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 12.721 -2.999 10.366 1.00 0.00 H new ATOM 943 N ASP A 768 8.423 -1.099 5.656 1.00 0.00 N ATOM 944 CA ASP A 768 7.687 -1.204 4.402 1.00 0.00 C ATOM 945 C ASP A 768 6.204 -0.921 4.617 1.00 0.00 C ATOM 946 O ASP A 768 5.567 -0.247 3.807 1.00 0.00 O ATOM 947 CB ASP A 768 7.870 -2.596 3.794 1.00 0.00 C ATOM 948 CG ASP A 768 7.541 -2.629 2.314 1.00 0.00 C ATOM 949 OD1 ASP A 768 7.695 -1.583 1.649 1.00 0.00 O ATOM 950 OD2 ASP A 768 7.128 -3.700 1.822 1.00 0.00 O ATOM 0 H ASP A 768 8.882 -1.961 5.949 1.00 0.00 H new ATOM 0 HA ASP A 768 8.084 -0.459 3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 768 8.900 -2.921 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.233 -3.306 4.321 1.00 0.00 H new ATOM 955 N ARG A 769 5.660 -1.440 5.713 1.00 0.00 N ATOM 956 CA ARG A 769 4.251 -1.245 6.033 1.00 0.00 C ATOM 957 C ARG A 769 3.957 0.226 6.317 1.00 0.00 C ATOM 958 O ARG A 769 3.045 0.809 5.732 1.00 0.00 O ATOM 959 CB ARG A 769 3.858 -2.097 7.241 1.00 0.00 C ATOM 960 CG ARG A 769 4.078 -3.586 7.034 1.00 0.00 C ATOM 961 CD ARG A 769 4.156 -4.328 8.359 1.00 0.00 C ATOM 962 NE ARG A 769 2.844 -4.469 8.985 1.00 0.00 N ATOM 963 CZ ARG A 769 2.670 -4.709 10.280 1.00 0.00 C ATOM 964 NH1 ARG A 769 3.719 -4.834 11.081 1.00 0.00 N ATOM 965 NH2 ARG A 769 1.445 -4.824 10.776 1.00 0.00 N ATOM 0 H ARG A 769 6.174 -1.999 6.394 1.00 0.00 H new ATOM 0 HA ARG A 769 3.662 -1.556 5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.433 -1.771 8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.807 -1.922 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 769 3.265 -3.995 6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.999 -3.744 6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 769 4.588 -5.315 8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 769 4.825 -3.794 9.035 1.00 0.00 H new ATOM 0 HE ARG A 769 2.016 -4.378 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 769 4.662 -4.746 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 769 3.583 -5.018 12.075 1.00 0.00 H new ATOM 0 HH21 ARG A 769 0.635 -4.728 10.163 1.00 0.00 H new ATOM 0 HH22 ARG A 769 1.313 -5.008 11.770 1.00 0.00 H new ATOM 979 N GLU A 770 4.735 0.816 7.218 1.00 0.00 N ATOM 980 CA GLU A 770 4.556 2.218 7.580 1.00 0.00 C ATOM 981 C GLU A 770 4.758 3.122 6.368 1.00 0.00 C ATOM 982 O GLU A 770 4.094 4.149 6.229 1.00 0.00 O ATOM 983 CB GLU A 770 5.533 2.610 8.691 1.00 0.00 C ATOM 984 CG GLU A 770 5.028 3.736 9.576 1.00 0.00 C ATOM 985 CD GLU A 770 5.913 3.970 10.785 1.00 0.00 C ATOM 986 OE1 GLU A 770 7.037 4.483 10.608 1.00 0.00 O ATOM 987 OE2 GLU A 770 5.480 3.639 11.909 1.00 0.00 O ATOM 0 H GLU A 770 5.495 0.346 7.711 1.00 0.00 H new ATOM 0 HA GLU A 770 3.536 2.346 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.736 1.736 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.480 2.909 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.968 4.654 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 770 4.017 3.505 9.910 1.00 0.00 H new ATOM 994 N ALA A 771 5.680 2.733 5.493 1.00 0.00 N ATOM 995 CA ALA A 771 5.969 3.507 4.292 1.00 0.00 C ATOM 996 C ALA A 771 4.871 3.331 3.249 1.00 0.00 C ATOM 997 O ALA A 771 4.123 4.265 2.956 1.00 0.00 O ATOM 998 CB ALA A 771 7.317 3.103 3.715 1.00 0.00 C ATOM 0 H ALA A 771 6.240 1.886 5.594 1.00 0.00 H new ATOM 0 HA ALA A 771 6.006 4.561 4.569 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.519 3.689 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.098 3.286 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.301 2.043 3.460 1.00 0.00 H new ATOM 1004 N LEU A 772 4.779 2.130 2.689 1.00 0.00 N ATOM 1005 CA LEU A 772 3.772 1.832 1.677 1.00 0.00 C ATOM 1006 C LEU A 772 2.420 2.423 2.063 1.00 0.00 C ATOM 1007 O LEU A 772 1.713 2.982 1.224 1.00 0.00 O ATOM 1008 CB LEU A 772 3.645 0.320 1.486 1.00 0.00 C ATOM 1009 CG LEU A 772 4.847 -0.380 0.852 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.790 -1.878 1.109 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.904 -0.096 -0.642 1.00 0.00 C ATOM 0 H LEU A 772 5.390 1.346 2.919 1.00 0.00 H new ATOM 0 HA LEU A 772 4.091 2.285 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.457 -0.134 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.769 0.124 0.868 1.00 0.00 H new ATOM 0 HG LEU A 772 5.754 0.013 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.654 -2.359 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.799 -2.064 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.876 -2.287 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.766 -0.602 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.993 -0.460 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.994 0.978 -0.805 1.00 0.00 H new ATOM 1023 N PHE A 773 2.068 2.297 3.338 1.00 0.00 N ATOM 1024 CA PHE A 773 0.801 2.820 3.836 1.00 0.00 C ATOM 1025 C PHE A 773 0.801 4.346 3.827 1.00 0.00 C ATOM 1026 O PHE A 773 -0.131 4.974 3.328 1.00 0.00 O ATOM 1027 CB PHE A 773 0.535 2.308 5.253 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.752 2.810 5.841 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -1.970 2.431 5.300 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -0.745 3.661 6.934 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.157 2.893 5.839 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -1.928 4.126 7.477 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.135 3.741 6.929 1.00 0.00 C ATOM 0 H PHE A 773 2.642 1.838 4.045 1.00 0.00 H new ATOM 0 HA PHE A 773 0.008 2.470 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.518 1.218 5.239 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.361 2.606 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -1.993 1.768 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 773 0.196 3.965 7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.100 2.591 5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -1.908 4.790 8.329 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.061 4.102 7.352 1.00 0.00 H new ATOM 1043 N ASN A 774 1.854 4.935 4.384 1.00 0.00 N ATOM 1044 CA ASN A 774 1.976 6.387 4.441 1.00 0.00 C ATOM 1045 C ASN A 774 1.736 7.008 3.068 1.00 0.00 C ATOM 1046 O ASN A 774 1.077 8.041 2.951 1.00 0.00 O ATOM 1047 CB ASN A 774 3.361 6.784 4.957 1.00 0.00 C ATOM 1048 CG ASN A 774 3.467 6.683 6.466 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.469 6.792 7.178 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.681 6.473 6.961 1.00 0.00 N ATOM 0 H ASN A 774 2.635 4.429 4.802 1.00 0.00 H new ATOM 0 HA ASN A 774 1.218 6.763 5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 774 4.114 6.142 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.582 7.806 4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.814 6.396 7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.480 6.389 6.333 1.00 0.00 H new ATOM 1057 N GLU A 775 2.273 6.370 2.034 1.00 0.00 N ATOM 1058 CA GLU A 775 2.117 6.860 0.669 1.00 0.00 C ATOM 1059 C GLU A 775 0.665 6.746 0.214 1.00 0.00 C ATOM 1060 O GLU A 775 0.049 7.734 -0.189 1.00 0.00 O ATOM 1061 CB GLU A 775 3.025 6.080 -0.284 1.00 0.00 C ATOM 1062 CG GLU A 775 4.456 5.949 0.209 1.00 0.00 C ATOM 1063 CD GLU A 775 5.239 7.241 0.077 1.00 0.00 C ATOM 1064 OE1 GLU A 775 4.817 8.113 -0.710 1.00 0.00 O ATOM 1065 OE2 GLU A 775 6.274 7.379 0.762 1.00 0.00 O ATOM 0 H GLU A 775 2.820 5.513 2.115 1.00 0.00 H new ATOM 0 HA GLU A 775 2.404 7.911 0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 775 2.609 5.084 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 775 3.028 6.574 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 775 4.449 5.638 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 775 4.960 5.164 -0.355 1.00 0.00 H new ATOM 1072 N PHE A 776 0.124 5.534 0.279 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.255 5.289 -0.128 1.00 0.00 C ATOM 1074 C PHE A 776 -2.195 6.324 0.484 1.00 0.00 C ATOM 1075 O PHE A 776 -2.925 7.014 -0.227 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.689 3.882 0.285 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.105 3.556 -0.093 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.164 4.005 0.679 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.378 2.800 -1.223 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.468 3.705 0.333 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.680 2.498 -1.574 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.727 2.952 -0.795 1.00 0.00 C ATOM 0 H PHE A 776 0.619 4.706 0.610 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.307 5.373 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -1.022 3.154 -0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.576 3.778 1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -3.968 4.596 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.564 2.443 -1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.284 4.060 0.945 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.879 1.908 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.746 2.718 -1.068 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.171 6.425 1.809 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.019 7.375 2.519 1.00 0.00 C ATOM 1094 C VAL A 777 -2.699 8.809 2.112 1.00 0.00 C ATOM 1095 O VAL A 777 -3.599 9.618 1.891 1.00 0.00 O ATOM 1096 CB VAL A 777 -2.861 7.239 4.045 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.198 5.824 4.492 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.451 7.619 4.470 1.00 0.00 C ATOM 0 H VAL A 777 -1.573 5.860 2.413 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.049 7.144 2.246 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.558 7.923 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.081 5.746 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.228 5.592 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.527 5.118 4.003 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.357 7.517 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.733 6.961 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.251 8.652 4.184 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.410 9.117 2.015 1.00 0.00 N ATOM 1109 CA ALA A 778 -0.969 10.452 1.632 1.00 0.00 C ATOM 1110 C ALA A 778 -1.704 10.936 0.387 1.00 0.00 C ATOM 1111 O ALA A 778 -2.126 12.090 0.313 1.00 0.00 O ATOM 1112 CB ALA A 778 0.534 10.466 1.399 1.00 0.00 C ATOM 0 H ALA A 778 -0.652 8.459 2.197 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.204 11.134 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.849 11.470 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 778 1.047 10.172 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.785 9.767 0.602 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.854 10.048 -0.590 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.539 10.385 -1.831 1.00 0.00 C ATOM 1120 C ALA A 779 -4.052 10.286 -1.667 1.00 0.00 C ATOM 1121 O ALA A 779 -4.795 11.138 -2.154 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.068 9.476 -2.957 1.00 0.00 C ATOM 0 H ALA A 779 -1.510 9.089 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.294 11.416 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.588 9.739 -3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.994 9.599 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.284 8.439 -2.702 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.501 9.241 -0.980 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.925 9.032 -0.752 1.00 0.00 C ATOM 1130 C ALA A 780 -6.604 10.322 -0.304 1.00 0.00 C ATOM 1131 O ALA A 780 -7.678 10.672 -0.795 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.139 7.935 0.281 1.00 0.00 C ATOM 0 H ALA A 780 -3.899 8.526 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.377 8.722 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.207 7.790 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.696 7.006 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.667 8.223 1.220 1.00 0.00 H new ATOM 1138 N ARG A 781 -5.972 11.024 0.630 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.517 12.275 1.145 1.00 0.00 C ATOM 1140 C ARG A 781 -6.380 13.393 0.116 1.00 0.00 C ATOM 1141 O ARG A 781 -5.804 13.198 -0.955 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.806 12.670 2.441 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.304 12.839 2.284 1.00 0.00 C ATOM 1144 CD ARG A 781 -3.584 12.688 3.615 1.00 0.00 C ATOM 1145 NE ARG A 781 -3.721 13.880 4.449 1.00 0.00 N ATOM 1146 CZ ARG A 781 -3.329 13.939 5.717 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -2.778 12.880 6.294 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -3.487 15.059 6.410 1.00 0.00 N ATOM 0 H ARG A 781 -5.082 10.748 1.046 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.576 12.123 1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -6.232 13.604 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.001 11.911 3.198 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -3.925 12.099 1.578 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.089 13.821 1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -3.983 11.825 4.148 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -2.527 12.491 3.435 1.00 0.00 H new ATOM 0 HE ARG A 781 -4.141 14.712 4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.654 12.017 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -2.478 12.928 7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -3.910 15.876 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -3.186 15.103 7.383 1.00 0.00 H new